Geometry & MOs

Info

ID:	28568
PubChem CID:	828398
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-97.39
Dipole, Da:	2.76
IP(EA), eV:	-9.41(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4R)-5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NC(C)(C)C

DOS

IR

Vibrations